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CS-W001157 4
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7-Chloro-1-(2-methyl-4-nitrobenzoyl)-1,2,3,4-tetrahydro-5H-benzo[b]azepin-5-one

  • CAS No. 137982-91-3

  • Cat. No. CS-0544202
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

7-Chloro-1-(2-methyl-4-nitrobenzoyl)-1,2,3,4-tetrahydro-5H-benzo[b]azepin-5-one|CS-0544202

Structure of 137982-91-3

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General Information

  • CAS No. 137982-91-3
  • Cat. No. CS-0544202
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₁₅ClN₂O₄
  • Molecular Weight 358.78
  • Synonym(s) 7-Chloro-1-(2-methyl-4-nitrobenzoyl)-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one
  • SMILES CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)N2CCCC(=O)C3=C2C=CC(=C3)Cl

Synthesis

  • Route1

    References

    • Kondo, Kazumi; Ogawa, Hidenori; Yamashita, Hiroshi; Miyamoto, Hisashi; Tanaka, Michinori; Nakaya, Kenji; Kitano, Kazuyoshi; Yamamura, Yoshitaka; Nakamura, Shigeki; Onogawa, Toshiyuki; Mori, Toyoki; Tominaga, Michiaki Bioorganic and Medicinal Chemistry, 1999 , vol. 7, # 8 p. 1743 - 1754
  • Route2

    References

    • Bioorganic and Medicinal Chemistry, , vol. 7, # 8 p. 1743 - 1754
  • Route3

    References

    • Bioorganic and Medicinal Chemistry, , vol. 7, # 8 p. 1743 - 1754

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   80.52
  • LogP   4.17992
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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